Out-of-equilibrium dynamics of a fractal model gel
Using molecular dynamics computer simulations we investigate the dynamics of a gel. We start from a fractal structure generated by the diffusion limited cluster aggregation-deflection algorithm, onto which we then impose an interaction potential consisting of a short-range attraction as well as a lo...
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Veröffentlicht in: | The Journal of chemical physics 2009-05, Vol.130 (19), p.194904-194904-15 |
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Hauptverfasser: | , , , |
Format: | Artikel |
Sprache: | eng |
Schlagworte: | |
Online-Zugang: | Volltext |
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Zusammenfassung: | Using molecular dynamics computer simulations we investigate the dynamics of a gel. We start from a fractal structure generated by the diffusion limited cluster aggregation-deflection algorithm, onto which we then impose an interaction potential consisting of a short-range attraction as well as a long-range repulsion. After relaxing the system at zero temperature, we let it evolve at a fixed finite temperature. Depending on the temperature
T
we find different scenarios for the dynamics. For
T
≳
0.2
the fractal structure is unstable and breaks up into small clusters which relax to equilibrium. For
T
≲
0.2
the structure is stable and the dynamics slows down with increasing waiting time. At intermediate and low
T
the mean squared displacement scales as
t
2
/
3
and we discuss several mechanisms for this anomalous time dependence. For intermediate
T
, the self-intermediate scattering function is given by a compressed exponential at small wave vectors and by a stretched exponential at large wave vectors. In contrast, for low
T
it is a stretched exponential for all wave vectors. This behavior can be traced back to a subtle interplay between elastic rearrangements, fluctuations of chainlike filaments, and heterogeneity. |
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ISSN: | 0021-9606 1089-7690 |
DOI: | 10.1063/1.3129247 |